5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine

C13H16BrN — CID 161388000

IUPAC5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine
SMILESBrc1ccc(C2CC3CCCC2C3)cn1
InChIInChI=1S/C13H16BrN/c14-13-5-4-11(8-15-13)12-7-9-2-1-3-10(12)6-9/h4-5,8-10,12H,1-3,6-7H2
InChIKeyVSPMHIITRRCKOF-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.14
Rot. Bonds1

About 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine

5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine (PubChem CID 161388000) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine.

Molecular Properties

Compound Name5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine
PubChem CID161388000
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine
SMILESBrc1ccc(C2CC3CCCC2C3)cn1
InChIInChI=1S/C13H16BrN/c14-13-5-4-11(8-15-13)12-7-9-2-1-3-10(12)6-9/h4-5,8-10,12H,1-3,6-7H2
InChIKeyVSPMHIITRRCKOF-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine?
The IUPAC name of 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine (CID 161388000) is 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine.
What is the SMILES notation for 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine?
The canonical SMILES for 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine is Brc1ccc(C2CC3CCCC2C3)cn1.
What is the InChIKey of 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine?
The InChIKey is VSPMHIITRRCKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-13-5-4-11(8-15-13)12-7-9-2-1-3-10(12)6-9/h4-5,8-10,12H,1-3,6-7H2.
What are the key properties of 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine?
5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine has a molecular weight of 266.18 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bicyclo[3.2.1]octanyl)-2-bromopyridine is sourced from PubChem (CID 161388000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).